General Information of the Compound
| Compound ID |
CP0456038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]methyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20FN3O3
|
||||||||||||||||||
| Molecular Weight |
417.44
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2cc[nH]c2cn1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20FN3O3/c1-15(17-5-7-20(25)8-6-17)28(14-16-3-2-4-19(11-16)24(30)31)23(29)21-12-18-9-10-26-22(18)13-27-21/h2-13,15,26H,14H2,1H3,(H,30,31)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITUHWRUDZXIIHN-OAHLLOKOSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound